(2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

C19H24F3N5O2S — CID 166064120

IUPAC(2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1C1=CCN(C(C)(C)C(F)(F)F)C=C1
InChIInChI=1S/C19H24F3N5O2S/c1-11-14(12-6-9-26(10-7-12)18(2,3)19(20,21)22)30-16(24-11)25-17(29)27-8-4-5-13(27)15(23)28/h6-7,9,13H,4-5,8,10H2,1-3H3,(H2,23,28)(H,24,25,29)/t13-/m0/s1
InChIKeyVYKMWMSHSXPOBP-ZDUSSCGKSA-N
MW443.50 g/mol
LogP3.49
Rot. Bonds4

About (2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

(2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (PubChem CID 166064120) has the molecular formula C19H24F3N5O2S and a molecular weight of 443.50 g/mol. Its IUPAC name is (2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
PubChem CID166064120
Molecular FormulaC19H24F3N5O2S
Molecular Weight443.50 g/mol
Exact Mass443.16
IUPAC Name(2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1C1=CCN(C(C)(C)C(F)(F)F)C=C1
InChIInChI=1S/C19H24F3N5O2S/c1-11-14(12-6-9-26(10-7-12)18(2,3)19(20,21)22)30-16(24-11)25-17(29)27-8-4-5-13(27)15(23)28/h6-7,9,13H,4-5,8,10H2,1-3H3,(H2,23,28)(H,24,25,29)/t13-/m0/s1
InChIKeyVYKMWMSHSXPOBP-ZDUSSCGKSA-N
XLogP3.49
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (CID 166064120) is (2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1C1=CCN(C(C)(C)C(F)(F)F)C=C1.
What is the InChIKey of (2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is VYKMWMSHSXPOBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24F3N5O2S/c1-11-14(12-6-9-26(10-7-12)18(2,3)19(20,21)22)30-16(24-11)25-17(29)27-8-4-5-13(27)15(23)28/h6-7,9,13H,4-5,8,10H2,1-3H3,(H2,23,28)(H,24,25,29)/t13-/m0/s1.
What are the key properties of (2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 443.50 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[4-methyl-5-[1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 166064120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).